2-氯-5-甲基苯硼酸

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学

2-氯-5-甲基苯硼酸 基本信息

中文名称:
2-氯-5-甲基苯硼酸 
中文别名:
2-氯-5-甲基苯硼酸;
2-氯-5-甲基苯基硼酸 
英文名称:
Boronic acid,B-(2-chloro-5-methylphenyl)-
英文别名:
(2-chloro-5-methylphenyl)boronic acid;
2-Chloro-5-Methylphenylboronic Acid;
2-chloro-5-methylphenyl boronic acid;
4-chloro-m-tolyl boronic acid;
(2-chloranyl-5-methyl-phenyl)boronic acid;
2-Chloro-5-methylbenzeneboronic acid 
CAS No.:
193353-35-4
分 子 式:
C7H8BClO2
分 子 量:
170.40
精确分子量:
170.03100
PSA:
40.46000
MDL:
MFCD06659822
危险品标志:
IrritantXi
风险术语:
R20/21/22;R36/37/38
安全术语:
S26;S36
分子结构式:
SDS:
查看

2-氯-5-甲基苯硼酸 物化性质

外观与性状:
灰白色粉末
密度:
1.26 g/cm3
熔点:
203-205
沸点:
330.1ºC at 760 mmHg
闪点:
153.5ºC
其它信息:

1.熔点(ºC):203~205

2-氯-5-甲基苯硼酸 安全信息

海关代码:
2931900090
危险类别码:
R20/21/22
安全说明:
S26-S36
安全标志:
:
危险标志:
Xi:Irritant;

2-氯-5-甲基苯硼酸 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : 2-Chloro-5-Methylphenylboronic Acid    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 193353-35-4    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Acute toxicity, Oral (Category 4), H302
    Serious eye damage (Category 1), H318
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Xi Irritant        R41    
    Xn Harmful        R22    
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H302        Harmful if swallowed.    
    H318        Causes serious eye damage.    
    Precautionary statement(s)
    P280        Wear protective gloves/ eye protection/ face protection.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Supplemental Hazard        none    
    Statements
  Other hazards
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
  Substances
    Formula        : C7H8BClO2    
    Molecular weight        : 170,40 g/mol    
    CAS-No.        : 193353-35-4    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  2-Chloro-5-Methylphenylboronic Acid
    Acute Tox. 4; Eye Dam. 1;        <= 100 %    
    H302, H318
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  2-Chloro-5-Methylphenylboronic Acid
    Xn, Xi, R22R41        <= 100 %    
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    No data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    No data available
  Advice for firefighters
    Wear self-contained breathing apparatus for firefighting if necessary.
  Further information
    No data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
    adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
    For personal protection see section 8.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
    Storage class (TRGS 510): Non Combustible Solids
  Specific end use(s)
    Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Face shield and safety glasses Use equipment for eye protection tested and approved under
    appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
    respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
    controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
    respirators and components tested and approved under appropriate government standards such
    as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    b) Odour        No data available    
    c) Odour Threshold        No data available    
    d) pH        No data available    
    e) Melting point/freezing        No data available    
    point
    f) Initial boiling point and No data available
    boiling range
    g) Flash point        No data available    
    h) Evaporation rate        No data available    
    i) Flammability (solid, gas) No data available
    j) Upper/lower        No data available    
    flammability or
    explosive limits
    k) Vapour pressure        No data available    
    l) Vapour density        No data available    
    m) Relative density        No data available    
    n) Water solubility        No data available    
    o) Partition coefficient: n- No data available
    octanol/water
    p) Auto-ignition        No data available    
    temperature
    q) Decomposition        No data available    
    temperature
    r) Viscosity        No data available    
    s) Explosive properties        No data available    
    t) Oxidizing properties        No data available    
  Other safety information
    No data available

SECTION 10: Stability and reactivity
  Reactivity
    No data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    No data available
  Conditions to avoid
    No data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - No data available
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    No data available
  Skin corrosion/irritation
    No data available
  Serious eye damage/eye irritation
    No data available
  Respiratory or skin sensitisation
    No data available
  Germ cell mutagenicity
    No data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    No data available
  Specific target organ toxicity - single exposure
    No data available
  Specific target organ toxicity - repeated exposure
    No data available
  Aspiration hazard
    No data available
  Additional Information
    RTECS: Not available
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

SECTION 12: Ecological information
  Toxicity
    No data available
  Persistence and degradability
    No data available
  Bioaccumulative potential
    No data available
  Mobility in soil
    No data available
  Results of PBT and vPvB assessment
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
  Other adverse effects
    No data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with
    an afterburner and scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    No data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    No data available
  Chemical Safety Assessment
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Full text of H-Statements referred to under sections 2 and 3.
    Acute Tox.        Acute toxicity    
    Eye Dam.        Serious eye damage    
    H302        Harmful if swallowed.    
    H318        Causes serious eye damage.    
  Full text of R-phrases referred to under sections 2 and 3
    Xi Irritant
    Xn Harmful
    R22 Harmful if swallowed.
    R41 Risk of serious damage to eyes.
  Further information
    Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

2-氯-5-甲基苯硼酸 海关数据

中国海关编码:2931900090

概述:
2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
摘要/Summary:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

2-氯-5-甲基苯硼酸 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:42.73

2、  摩尔体积(cm3/mol):134.3

3、  等张比容(90.2K):347.1

4、  表面张力(dyne/cm):44.5

5、  极化率(10-24cm3):16.94

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积40.5

7.重原子数量:11

8.表面电荷:0

9.复杂度:132

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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